Geometry & MOs

Info

ID:	49381
PubChem CID:	11532949
Reduced:	N4O4C27H28 (1)
Stoich.:	A4B4C27D28 (1)
Weight, g/mol:	472.166808
ΔH_f, kcal/mol:	-98.89
Dipole, Da:	10.92
IP(EA), eV:	-8.67(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(E)-3-(benzenesulfonyl)prop-2-enoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CC=C(O3)C(=O)NC4CN5CCC4CC5

DOS

IR

Vibrations